Isocyanic acid, p-isopropenyl-alpha,alpha-dimethylbenzyl ester

CAS 2889-58-9 MFCD N/A

化学结构图

2889-58-9
SMILES: C=C(C)c1ccc(C(C)(C)N=C=O)cc1

化学属性

Mol. Weight201.29
Mol. FormulaC13H15NO

别名和识别编码

Synonym 1-(1-isocyanato-1-methylethyl)-4-(1-methylethenyl)-benzene alpha,alpha-Dimethyl-para-isopropenyl benzyl isocyanate Benzene, 1-(1-isocyanato-1-methylethyl)-4-(1-methylethenyl)- 1-(1-Isocyanato-1-methylethyl)-4-(1-methylethenyl)benzene p-TMI
Chemical NameIsocyanic acid, p-isopropenyl-alpha,alpha-dimethylbenzyl ester
Beilstein Registry Number2642784
CAS Number2889-58-9
InChIKeyJRLLJITWABKEKE-UHFFFAOYSA-N
PubChem Substance ID17911
InChIInChI=1S/C13H15NO/c1-10(2)11-5-7-12(8-6-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; isocyanate; 1fragment

相关文献及参考

  • Short: IV/18B Title: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures: Pure Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/18B Year: 2001 Keyword: organic compounds; viscosity; liquids; mixtures Internet Resource: DOI:10.1007/b68240 RefComment: VII, 409 pages.

安全信息

RTECSNQ9240000 
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volume(issue)/page/year: 1,159,1992

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4400 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - other changes
   Gastrointestinal - hypermotility, diarrhea
   Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volume(issue)/page/year: 1,159,1992

系列性分类

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